N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

C16H16ClN3O4S — CID 4789601

IUPACN-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O4S/c17-13-6-4-5-12(11-13)16(22)20-19-15(21)9-10-18-25(23,24)14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,19,21)(H,20,22)
InChIKeyYWKPKXXETMBEGY-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.47
Rot. Bonds6

About N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 4789601) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID4789601
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC NameN-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O4S/c17-13-6-4-5-12(11-13)16(22)20-19-15(21)9-10-18-25(23,24)14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,19,21)(H,20,22)
InChIKeyYWKPKXXETMBEGY-UHFFFAOYSA-N
XLogP1.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tcn-201
CID 4787937
2-(N-(4-chlorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11362509
4-(N-(4-chlorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11396353
N'-(benzenesulfonyl)-3-(3-chlorophenyl)benzohydrazide
CID 124132157
N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-phenylbenzohydrazide
CID 124132194
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202
N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1149731
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 155569125
4-[[(3-Oxo-3-phenylpropyl)amino]carbamoyl]benzenesulfonamide
CID 162395172
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzenesulfonamide
CID 2435129
2-(Benzenesulfonyl)-1,3-bis[(3-chlorobenzoyl)amino]guanidine
CID 2803746

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 4789601) is N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is YWKPKXXETMBEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-13-6-4-5-12(11-13)16(22)20-19-15(21)9-10-18-25(23,24)14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 381.84 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4789601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).